2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

C14H18N4O3S2 — CID 86846575

IUPAC2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2cc(C)ccc2NS(C)(=O)=O)s1
InChIInChI=1S/C14H18N4O3S2/c1-4-5-12-16-17-14(22-12)15-13(19)10-8-9(2)6-7-11(10)18-23(3,20)21/h6-8,18H,4-5H2,1-3H3,(H,15,17,19)
InChIKeyBWHVIPVSLSVWTB-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.42
Rot. Bonds6

About 2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 86846575) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID86846575
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2cc(C)ccc2NS(C)(=O)=O)s1
InChIInChI=1S/C14H18N4O3S2/c1-4-5-12-16-17-14(22-12)15-13(19)10-8-9(2)6-7-11(10)18-23(3,20)21/h6-8,18H,4-5H2,1-3H3,(H,15,17,19)
InChIKeyBWHVIPVSLSVWTB-UHFFFAOYSA-N
XLogP2.42
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110485976
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
2-(methanesulfonamido)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 51097784
3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111874
2-methyl-5-methylsulfonyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55551181
2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109760
2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 108808572
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46550915
7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
CID 4975873
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 86846575) is 2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2cc(C)ccc2NS(C)(=O)=O)s1.
What is the InChIKey of 2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is BWHVIPVSLSVWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-4-5-12-16-17-14(22-12)15-13(19)10-8-9(2)6-7-11(10)18-23(3,20)21/h6-8,18H,4-5H2,1-3H3,(H,15,17,19).
What are the key properties of 2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 354.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 86846575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).